Information card for entry 4105512

Structure parameters

• Formula: C29 H29 Cl N O5 P S
• Calculated formula: C29 H28 Cl N O5 P S
• SMILES: Clc1ccc([C@](P(=O)(Oc2ccccc2)Oc2ccccc2)(NS(=O)(=O)c2c(cc(cc2C)C)C)C)cc1
• Title of publication: Catalytic Enantioselective Hydrophosphonylation of Ketimines Using Cinchona Alkaloids
• Authors of publication: Shuichi Nakamura; Masashi Hayashi; Yuichi Hiramatsu; Norio Shibata; Yasuhiro Funahashi; Takeshi Toru
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18240 - 18241
• a: 15.97 ± 0.0003 Å
• b: 15.97 ± 0.0003 Å
• c: 19.09 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4216.44 ± 0.16 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No